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sc::CartesianIter(3) MPQC sc::CartesianIter(3) NAME sc::CartesianIter - CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization. SYNOPSIS #include <cartiter.h> Inherited by MPQC::CartesianIterCCA, sc::CartesianIterCCA, sc::CartesianIterCints, and sc::CartesianIterV3. Public Member Functions CartesianIter (int l) Initialize an iterator for the given angular momentum. virtual void start ()=0 Start the iteration. virtual void next ()=0 Move to the next Cartesian function. virtual operator int ()=0 Returns nonzero if the iterator currently hold valid data. int n () Returns the number of Cartesian functions. int a () Returns the exponent of x. int b () Returns the exponent of y. int c () Returns the exponent of z. int l () Returns the angular momentum. int l (int i) Returns a() if i==0, b() if i==1, and c() if i==2. int bfn () Returns the number of the current basis function within the shell. Protected Attributes int a_ int b_ int c_ int l_ int bfn_ Detailed Description CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization. Member Function Documentation int sc::CartesianIter::bfn () [inline] Returns the number of the current basis function within the shell. This starts at 0 and sequentially increases as next() is called. virtual void sc::CartesianIter::next () [pure virtual] Move to the next Cartesian function. Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3. virtual sc::CartesianIter::operator int () [pure virtual] Returns nonzero if the iterator currently hold valid data. Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3. virtual void sc::CartesianIter::start () [pure virtual] Start the iteration. Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Tue May 13 2025 sc::CartesianIter(3)
NAME | SYNOPSIS | Detailed Description | Member Function Documentation | Author
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